(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone

C22H17ClF3N3O2 — CID 164798502

IUPAC(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone
SMILESNc1nc2cc(Cl)c(C(=O)N3CC(c4ccc(C(F)(F)F)cc4)C3)cc2c2c1COC2
InChIInChI=1S/C22H17ClF3N3O2/c23-18-6-19-14(16-9-31-10-17(16)20(27)28-19)5-15(18)21(30)29-7-12(8-29)11-1-3-13(4-2-11)22(24,25)26/h1-6,12H,7-10H2,(H2,27,28)
InChIKeySRZGSXMDALLOAQ-UHFFFAOYSA-N
MW447.84 g/mol
LogP4.76
Rot. Bonds2

About (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone

(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone (PubChem CID 164798502) has the molecular formula C22H17ClF3N3O2 and a molecular weight of 447.84 g/mol. Its IUPAC name is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone
PubChem CID164798502
Molecular FormulaC22H17ClF3N3O2
Molecular Weight447.84 g/mol
Exact Mass447.10
IUPAC Name(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone
SMILESNc1nc2cc(Cl)c(C(=O)N3CC(c4ccc(C(F)(F)F)cc4)C3)cc2c2c1COC2
InChIInChI=1S/C22H17ClF3N3O2/c23-18-6-19-14(16-9-31-10-17(16)20(27)28-19)5-15(18)21(30)29-7-12(8-29)11-1-3-13(4-2-11)22(24,25)26/h1-6,12H,7-10H2,(H2,27,28)
InChIKeySRZGSXMDALLOAQ-UHFFFAOYSA-N
XLogP4.76
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4R)-3,3-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 164798821
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 167121916
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 164798509
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 164992014
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-[4-fluoro-3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 164798528
4-amino-7-chloro-N-propan-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 175487771
4-amino-7-chloro-N-ethyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383659
4-amino-7-chloro-N-methyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867503
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3S)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-4-yl]methanone
CID 164798401
4-amino-7-chloro-N-[(3R)-4-fluoro-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 170556768
(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(4S)-3,3-dimethyl-4-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 164798664
(4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl)-[(2S)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 164798606

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone?
The IUPAC name of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone (CID 164798502) is (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone.
What is the SMILES notation for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone?
The canonical SMILES for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone is Nc1nc2cc(Cl)c(C(=O)N3CC(c4ccc(C(F)(F)F)cc4)C3)cc2c2c1COC2.
What is the InChIKey of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone?
The InChIKey is SRZGSXMDALLOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N3O2/c23-18-6-19-14(16-9-31-10-17(16)20(27)28-19)5-15(18)21(30)29-7-12(8-29)11-1-3-13(4-2-11)22(24,25)26/h1-6,12H,7-10H2,(H2,27,28).
What are the key properties of (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone?
(4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone has a molecular weight of 447.84 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-chloro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone is sourced from PubChem (CID 164798502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).